2-(3-fluorophenyl)-2-methyl-1-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one

C24H29FN4O3 — CID 92637294

IUPAC2-(3-fluorophenyl)-2-methyl-1-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCc1nc([C@@H]2CCCN2C(=O)C(C)(C)c2cccc(F)c2)ncc1C(=O)N1CCOCC1
InChIInChI=1S/C24H29FN4O3/c1-16-19(22(30)28-10-12-32-13-11-28)15-26-21(27-16)20-8-5-9-29(20)23(31)24(2,3)17-6-4-7-18(25)14-17/h4,6-7,14-15,20H,5,8-13H2,1-3H3/t20-/m0/s1
InChIKeyWKDLXQPOKAWEMJ-FQEVSTJZSA-N
MW440.52 g/mol
LogP3.04
Rot. Bonds4

About 2-(3-fluorophenyl)-2-methyl-1-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one

2-(3-fluorophenyl)-2-methyl-1-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 92637294) has the molecular formula C24H29FN4O3 and a molecular weight of 440.52 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-methyl-1-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-methyl-1-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
PubChem CID92637294
Molecular FormulaC24H29FN4O3
Molecular Weight440.52 g/mol
Exact Mass440.22
IUPAC Name2-(3-fluorophenyl)-2-methyl-1-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCc1nc([C@@H]2CCCN2C(=O)C(C)(C)c2cccc(F)c2)ncc1C(=O)N1CCOCC1
InChIInChI=1S/C24H29FN4O3/c1-16-19(22(30)28-10-12-32-13-11-28)15-26-21(27-16)20-8-5-9-29(20)23(31)24(2,3)17-6-4-7-18(25)14-17/h4,6-7,14-15,20H,5,8-13H2,1-3H3/t20-/m0/s1
InChIKeyWKDLXQPOKAWEMJ-FQEVSTJZSA-N
XLogP3.04
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-fluorophenyl)-[(2R)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92636277
[4-methyl-2-[1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 110247617
(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 92637289
[4-methyl-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-2-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 110247915
[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 110248963
2-(2,4-difluorophenoxy)-1-[(2S)-2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 92637446
2-(4-fluorophenoxy)-1-[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110247587
(5-fluoro-1H-indol-2-yl)-[(2S)-2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92639956
[2-[(3S)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-4-methylpyrimidin-5-yl]-morpholin-4-ylmethanone
CID 92639517
3-(4-fluorophenyl)-1-[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 110247872
[4-methyl-2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 92636015
4-(2-fluorophenoxy)-1-[(2S)-2-[4-methyl-5-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]butan-1-one
CID 92637374

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-methyl-1-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-(3-fluorophenyl)-2-methyl-1-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one (CID 92637294) is 2-(3-fluorophenyl)-2-methyl-1-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(3-fluorophenyl)-2-methyl-1-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-(3-fluorophenyl)-2-methyl-1-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one is Cc1nc([C@@H]2CCCN2C(=O)C(C)(C)c2cccc(F)c2)ncc1C(=O)N1CCOCC1.
What is the InChIKey of 2-(3-fluorophenyl)-2-methyl-1-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is WKDLXQPOKAWEMJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H29FN4O3/c1-16-19(22(30)28-10-12-32-13-11-28)15-26-21(27-16)20-8-5-9-29(20)23(31)24(2,3)17-6-4-7-18(25)14-17/h4,6-7,14-15,20H,5,8-13H2,1-3H3/t20-/m0/s1.
What are the key properties of 2-(3-fluorophenyl)-2-methyl-1-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one?
2-(3-fluorophenyl)-2-methyl-1-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 440.52 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-methyl-1-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 92637294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).